UCSF

ZINC36870311

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.15 4.21 -76.58 1 5 0 79 249.332 6
Mid Mid (pH 6-8) 0.15 1.95 -51.02 0 5 -1 78 248.324 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )